smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(S(=O)(=O)F)ccn4)C3)O2)CC1	ZINC001164893195	721452387	/nfs/dbraw/zinc/45/23/87/721452387.db2.gz	YVRHXNSXZSCCAI-VQIMIIECSA-N	1	1	412.531	1.505	20	70		HDIDMO
O=S(=O)(F)c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nn1	ZINC001164960010	722059815	/nfs/dbraw/zinc/05/98/15/722059815.db2.gz	COTHSEIFQYPUQK-UHFFFAOYSA-N	1	1	421.498	1.649	20	70		HDIDMO
O=S(=O)(F)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1	ZINC001164974273	722143363	/nfs/dbraw/zinc/14/33/63/722143363.db2.gz	DBJBYHMLIJOXNS-JKSUJKDBSA-N	1	1	407.471	1.257	20	70		HDIDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(S(=O)(=O)F)ccn1)CCC2	ZINC001164817644	720248387	/nfs/dbraw/zinc/24/83/87/720248387.db2.gz	RSSRQJADIOBZMS-UHFFFAOYSA-N	1	1	409.487	1.547	20	70		HDIDMO
O=S(=O)(F)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1	ZINC001164753523	720861205	/nfs/dbraw/zinc/86/12/05/720861205.db2.gz	XASSCLZWRRZDPJ-XYJFISCASA-N	1	1	420.514	1.711	20	70		HDIDMO
O=S(=O)(F)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1	ZINC001164753520	720861312	/nfs/dbraw/zinc/86/13/12/720861312.db2.gz	XASSCLZWRRZDPJ-JFIYKMOQSA-N	1	1	420.514	1.711	20	70		HDIDMO
CCOC(=O)C1CC[NH+](C2CCN(c3ccc(S(=O)(=O)F)nn3)CC2)CC1	ZINC001164616477	719031890	/nfs/dbraw/zinc/03/18/90/719031890.db2.gz	DBFXMJJEBALBKQ-UHFFFAOYSA-N	1	1	400.476	1.379	20	70		HDIDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(S(=O)(=O)F)nn3)CC[C@@H]21	ZINC001164835946	720609634	/nfs/dbraw/zinc/60/96/34/720609634.db2.gz	CYAAMOUCSLIZCS-PMPSAXMXSA-N	1	1	408.503	1.709	20	70		HDIDMO
O=S(=O)(F)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1	ZINC001164974269	722143226	/nfs/dbraw/zinc/14/32/26/722143226.db2.gz	DBJBYHMLIJOXNS-HOTGVXAUSA-N	1	1	407.471	1.257	20	70		HDIDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(S(=O)(=O)F)nn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164835943	720610177	/nfs/dbraw/zinc/61/01/77/720610177.db2.gz	CYAAMOUCSLIZCS-HRCADAONSA-N	1	1	408.503	1.709	20	70		HDIDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(S(=O)(=O)F)nn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164835945	720609040	/nfs/dbraw/zinc/60/90/40/720609040.db2.gz	CYAAMOUCSLIZCS-OWCLPIDISA-N	1	1	408.503	1.709	20	70		HDIDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(S(=O)(=O)F)nn3)CC[C@@H]21	ZINC001164835944	720609762	/nfs/dbraw/zinc/60/97/62/720609762.db2.gz	CYAAMOUCSLIZCS-JYJNAYRXSA-N	1	1	408.503	1.709	20	70		HDIDMO
O=S(=O)(F)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1	ZINC001164742514	720849240	/nfs/dbraw/zinc/84/92/40/720849240.db2.gz	HFBDLAHTNKSGQW-ARFHVFGLSA-N	1	1	421.502	1.106	20	70		HDIDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(S(=O)(=O)F)ccn4)C3)O2)CC1	ZINC001164893188	721452346	/nfs/dbraw/zinc/45/23/46/721452346.db2.gz	YVRHXNSXZSCCAI-APWZRJJASA-N	1	1	412.531	1.505	20	70		HDIDMO
O=S(=O)(F)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1	ZINC001164742515	720848918	/nfs/dbraw/zinc/84/89/18/720848918.db2.gz	HFBDLAHTNKSGQW-BZUAXINKSA-N	1	1	421.502	1.106	20	70		HDIDMO
O=S(=O)(F)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1	ZINC001164753521	720861116	/nfs/dbraw/zinc/86/11/16/720861116.db2.gz	XASSCLZWRRZDPJ-LZLYRXPVSA-N	1	1	420.514	1.711	20	70		HDIDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(S(=O)(=O)F)ccn4)C3)O2)CC1	ZINC001164893191	721452371	/nfs/dbraw/zinc/45/23/71/721452371.db2.gz	YVRHXNSXZSCCAI-LPHOPBHVSA-N	1	1	412.531	1.505	20	70		HDIDMO
O=S(=O)(F)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nn1	ZINC001164974271	722143051	/nfs/dbraw/zinc/14/30/51/722143051.db2.gz	DBJBYHMLIJOXNS-HZPDHXFCSA-N	1	1	407.471	1.257	20	70		HDIDMO
O=S(=O)(F)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1	ZINC001164753522	720860989	/nfs/dbraw/zinc/86/09/89/720860989.db2.gz	XASSCLZWRRZDPJ-SOLBZPMBSA-N	1	1	420.514	1.711	20	70		HDIDMO
O=S(=O)(F)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1	ZINC001164974267	722143373	/nfs/dbraw/zinc/14/33/73/722143373.db2.gz	DBJBYHMLIJOXNS-CVEARBPZSA-N	1	1	407.471	1.257	20	70		HDIDMO
O=S(=O)(F)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1	ZINC001164742516	720848807	/nfs/dbraw/zinc/84/88/07/720848807.db2.gz	HFBDLAHTNKSGQW-HRCADAONSA-N	1	1	421.502	1.106	20	70		HDIDMO
O=S(=O)(F)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nn1	ZINC001164742517	720849129	/nfs/dbraw/zinc/84/91/29/720849129.db2.gz	HFBDLAHTNKSGQW-OWCLPIDISA-N	1	1	421.502	1.106	20	70		HDIDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(S(=O)(=O)F)ccn4)C3)O2)CC1	ZINC001164893193	721452830	/nfs/dbraw/zinc/45/28/30/721452830.db2.gz	YVRHXNSXZSCCAI-QFBILLFUSA-N	1	1	412.531	1.505	20	70		HDIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1	ZINC001164815158	720247822	/nfs/dbraw/zinc/24/78/22/720247822.db2.gz	BIINNJXMZIFONN-UHFFFAOYSA-N	1	1	423.514	1.855	20	70		HDIDMO